%chk=000023344.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023344

0 1
 O  -0.2447000      -1.136700      0.4858000    
 N    3.660300     -0.5846000     -0.2336000    
 N   0.5989000       1.574800     -0.4216000    
 N   -4.610300     -0.1641000     -0.7728000    
 C    2.626800      0.3276000      0.2548000    
 C    1.663500      0.6838000     -0.8739000    
 C    3.056900      -1.817200     -0.7390000    
 C    4.621200     -0.8836000      0.8276000    
 C  -0.6038000       1.176100      7.9300001E-02
 C   0.6787000       2.935000     -0.4464000    
 C    4.111300      -2.751900      -1.307000    
 C    5.258600      0.3866000       1.364800    
 C   -1.318500       2.312700      0.3864000    
 C  -0.5070000       3.425500      5.4000001E-02
 C   -1.016100     -0.1846000      0.2441000    
 C   -2.459300     -0.5778000      0.1539000    
 C   -2.909600      -1.647800      0.8762000    
 C   -3.298500      0.1374000     -0.6464000    
 C   -4.253500      -1.989000      0.7721000    
 C   -5.054800      -1.222200     -5.8300000E-02
 H    3.058800       1.275000      0.5948000    
 H    2.088500     -0.1003000       1.110000    
 H    1.151900     -0.1606000      -1.338800    
 H    2.194700       1.207600      -1.679500    
 H    2.474900      -2.337500      3.1800002E-02
 H    2.391700      -1.624600      -1.583500    
 H    4.161300      -1.441800       1.652800    
 H    5.447800      -1.487800      0.4396000    
 H    1.560000       3.447000     -0.8090000    
 H    4.791000      -2.231000      -1.990300    
 H    4.699400      -3.243600     -0.5260000    
 H    3.624800      -3.551000      -1.878200    
 H    5.601100       1.044400      0.5586000    
 H    4.588000      0.9462000       2.024300    
 H    6.137300      0.1274000       1.966700    
 H   -2.306900       2.359400      0.8228000    
 H  -0.7566000       4.470600      0.1717000    
 H   -2.263900      -2.229000       1.526500    
 H   -2.982800      0.9650000      -1.270200    
 H   -4.661500      -2.827300       1.325100    
 H   -6.110200      -1.446500     -0.1736000    


%chk=000023344-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023344

0 1
O -0.317947 -1.223059 -0.103552
N 3.632811 -0.744090 0.083230
N 0.631959 1.576033 -0.178892
N -4.891596 0.022772 -0.846330
C 2.561922 0.146542 0.583700
C 1.782073 0.748110 -0.612564
C 3.167495 -2.148684 -0.103383
C 4.914455 -0.634498 0.825556
C -0.698333 1.153979 0.059141
C 0.721049 2.930719 0.080499
C 3.931469 -2.889497 -1.217042
C 5.673379 0.672691 0.526626
C -1.427251 2.301040 0.483837
C -0.537308 3.408456 0.500719
C -1.137619 -0.235836 -0.054310
C -2.614870 -0.526173 -0.102042
C -3.082601 -1.754711 0.434359
C -3.560529 0.313014 -0.752475
C -4.453046 -2.067720 0.348813
C -5.321219 -1.146423 -0.285871
H 3.004322 0.968991 1.175772
H 1.843224 -0.388926 1.242942
H 1.411950 -0.069781 -1.247846
H 2.461475 1.380618 -1.210354
H 3.243619 -2.723210 0.853726
H 2.092714 -2.116153 -0.357512
H 4.761896 -0.738616 1.930196
H 5.549240 -1.485409 0.517649
H 1.660028 3.463984 -0.062678
H 3.812170 -2.359442 -2.178219
H 5.013384 -2.961871 -1.001211
H 3.543053 -3.919062 -1.330167
H 5.881991 0.751232 -0.554688
H 5.093667 1.564476 0.829220
H 6.632716 0.697834 1.076731
H -2.473079 2.303439 0.784329
H -0.768130 4.433644 0.783493
H -2.361633 -2.436082 0.897442
H -3.241951 1.238009 -1.244715
H -4.848785 -3.000831 0.761553
H -6.396764 -1.343907 -0.360083


